@MOLECULE 1h-pyrazole-4-carbonitrile, 5-amino-3-(methylthio)- 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0040 -0.7019 0.0140 S.3 1 UNL1111111111 0.1612 2 N 0.8621 1.9069 -0.0359 N.ar 1 UNL1111111111 -0.2768 3 N -0.4664 1.5580 -0.0022 N.ar 1 UNL1111111111 -0.2707 4 N 3.0403 0.8353 0.0632 N.pl3 1 UNL1111111111 -0.5943 5 N 1.4803 -2.8072 -0.0184 N.1 1 UNL1111111111 -0.2677 6 C 1.6691 0.7764 -0.0083 C.ar 1 UNL1111111111 0.3431 7 C 0.8033 -0.3464 -0.0026 C.ar 1 UNL1111111111 -0.3084 8 C -0.5236 0.2132 0.0042 C.ar 1 UNL1111111111 0.0514 9 C -3.2861 0.5860 -0.0068 C.3 1 UNL1111111111 -0.4966 10 C 1.1660 -1.6911 -0.0081 C.1 1 UNL1111111111 0.1707 11 H 1.1036 2.8716 0.0648 H 1 UNL1111111111 0.3410 12 H 3.5159 1.6693 -0.2206 H 1 UNL1111111111 0.3035 13 H 3.5474 -0.0214 -0.0909 H 1 UNL1111111111 0.3205 14 H -4.2670 0.0961 -0.0060 H 1 UNL1111111111 0.1725 15 H -3.2148 1.2228 -0.8976 H 1 UNL1111111111 0.1753 16 H -3.2232 1.2430 0.8698 H 1 UNL1111111111 0.1754 @BOND 1 1 8 1 2 1 9 1 3 2 3 ar 4 2 6 ar 5 2 11 1 6 3 8 ar 7 4 6 1 8 4 12 1 9 4 13 1 10 5 10 3 11 6 7 ar 12 7 8 ar 13 7 10 1 14 9 14 1 15 9 15 1 16 9 16 1